1-methylsulfanylhex-4-yn-2-ylhydrazine

C7H14N2S — CID 105213837

IUPAC1-methylsulfanylhex-4-yn-2-ylhydrazine
SMILESCC#CCC(CSC)NN
InChIInChI=1S/C7H14N2S/c1-3-4-5-7(9-8)6-10-2/h7,9H,5-6,8H2,1-2H3
InChIKeyHIEIMOMAOJNKOQ-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.59
Rot. Bonds4

About 1-methylsulfanylhex-4-yn-2-ylhydrazine

1-methylsulfanylhex-4-yn-2-ylhydrazine (PubChem CID 105213837) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-methylsulfanylhex-4-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-methylsulfanylhex-4-yn-2-ylhydrazine
PubChem CID105213837
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name1-methylsulfanylhex-4-yn-2-ylhydrazine
SMILESCC#CCC(CSC)NN
InChIInChI=1S/C7H14N2S/c1-3-4-5-7(9-8)6-10-2/h7,9H,5-6,8H2,1-2H3
InChIKeyHIEIMOMAOJNKOQ-UHFFFAOYSA-N
XLogP0.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-propylsulfanylhex-4-yn-2-ylhydrazine
CID 105225669
3-hydrazinyl-N,N-dimethylhept-5-yn-1-amine
CID 105259171
(5-methyl-1-methylsulfanylhexan-2-yl)hydrazine
CID 105213733
1,1-difluorohex-4-yn-2-ylhydrazine
CID 105265047
1-tert-butylsulfanylhept-5-yn-2-ylhydrazine
CID 105226523
1-(oxolan-3-yl)hex-4-yn-2-ylhydrazine
CID 105266017
1-(4-tert-butyl-2,6-dimethylphenyl)hex-4-yn-2-ylhydrazine
CID 105197832
1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-ylhydrazine
CID 103477647
1-thiophen-2-ylhex-4-yn-2-ylhydrazine
CID 105211808
1-(2-methylpropylsulfanyl)-N-propylhex-4-yn-2-amine
CID 65136852
(5,5,5-trifluoro-1-methylsulfanylpentan-2-yl)hydrazine
CID 105213738
1-phenoxyhept-5-yn-3-ylhydrazine
CID 105191389

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylhex-4-yn-2-ylhydrazine?
The IUPAC name of 1-methylsulfanylhex-4-yn-2-ylhydrazine (CID 105213837) is 1-methylsulfanylhex-4-yn-2-ylhydrazine.
What is the SMILES notation for 1-methylsulfanylhex-4-yn-2-ylhydrazine?
The canonical SMILES for 1-methylsulfanylhex-4-yn-2-ylhydrazine is CC#CCC(CSC)NN.
What is the InChIKey of 1-methylsulfanylhex-4-yn-2-ylhydrazine?
The InChIKey is HIEIMOMAOJNKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-3-4-5-7(9-8)6-10-2/h7,9H,5-6,8H2,1-2H3.
What are the key properties of 1-methylsulfanylhex-4-yn-2-ylhydrazine?
1-methylsulfanylhex-4-yn-2-ylhydrazine has a molecular weight of 158.27 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylhex-4-yn-2-ylhydrazine is sourced from PubChem (CID 105213837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).